N-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]sulfonyl]-4-fluoro-2-(trifluoromethyl)benzamide

C20H13ClF4N2O3S — CID 25115154

IUPACN-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]sulfonyl]-4-fluoro-2-(trifluoromethyl)benzamide
SMILESCc1cc(S(=O)(=O)NC(=O)c2ccc(F)cc2C(F)(F)F)cnc1-c1ccccc1Cl
InChIInChI=1S/C20H13ClF4N2O3S/c1-11-8-13(10-26-18(11)15-4-2-3-5-17(15)21)31(29,30)27-19(28)14-7-6-12(22)9-16(14)20(23,24)25/h2-10H,1H3,(H,27,28)
InChIKeyCMVHRQXBVCYPNN-UHFFFAOYSA-N
MW472.85 g/mol
LogP4.99
Rot. Bonds4

About N-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]sulfonyl]-4-fluoro-2-(trifluoromethyl)benzamide

N-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]sulfonyl]-4-fluoro-2-(trifluoromethyl)benzamide (PubChem CID 25115154) has the molecular formula C20H13ClF4N2O3S and a molecular weight of 472.85 g/mol. Its IUPAC name is N-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]sulfonyl]-4-fluoro-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]sulfonyl]-4-fluoro-2-(trifluoromethyl)benzamide
PubChem CID25115154
Molecular FormulaC20H13ClF4N2O3S
Molecular Weight472.85 g/mol
Exact Mass472.03
IUPAC NameN-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]sulfonyl]-4-fluoro-2-(trifluoromethyl)benzamide
SMILESCc1cc(S(=O)(=O)NC(=O)c2ccc(F)cc2C(F)(F)F)cnc1-c1ccccc1Cl
InChIInChI=1S/C20H13ClF4N2O3S/c1-11-8-13(10-26-18(11)15-4-2-3-5-17(15)21)31(29,30)27-19(28)14-7-6-12(22)9-16(14)20(23,24)25/h2-10H,1H3,(H,27,28)
InChIKeyCMVHRQXBVCYPNN-UHFFFAOYSA-N
XLogP4.99
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.85
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-sulfamoylbenzamide
CID 52948348
5-[benzyl(methyl)sulfamoyl]-2-chloro-N-(2-pyridin-2-ylethyl)benzamide
CID 2494801
2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide
CID 24982950
4-(5-Chloro-6-(3,5-difluorophenyl)-3-
CID 117993930
US9663508, Example 835
CID 122422388
2-chloro-5-[(2-fluorophenyl)sulfamoyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 16296235
N-[(2-chlorophenyl)methyl]-4-[(E)-3-pyridin-3-ylprop-2-enoyl]benzenesulfonamide
CID 40701523
1-[3-chloro-4-(trifluoromethyl)phenyl]-N-methylsulfonylisoquinoline-6-carboxamide
CID 155521282
N-(3-chlorophenyl)-4-fluoro-3-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 5072687
2-Chloro-N-[4,4-difluoro-1-(6-trifluoromethyl-pyridin-3-yl)-cyclohexylmethyl]-4-methanesulfonyl-benzamide
CID 117870185
3-chloro-N'-(3-ethylphenyl)sulfonyl-2-fluoro-5-pyridin-2-ylbenzohydrazide
CID 168474539
N-[[1-(benzenesulfonyl)-4-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-2,4-dichlorobenzamide
CID 44591668

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]sulfonyl]-4-fluoro-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]sulfonyl]-4-fluoro-2-(trifluoromethyl)benzamide (CID 25115154) is N-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]sulfonyl]-4-fluoro-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]sulfonyl]-4-fluoro-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]sulfonyl]-4-fluoro-2-(trifluoromethyl)benzamide is Cc1cc(S(=O)(=O)NC(=O)c2ccc(F)cc2C(F)(F)F)cnc1-c1ccccc1Cl.
What is the InChIKey of N-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]sulfonyl]-4-fluoro-2-(trifluoromethyl)benzamide?
The InChIKey is CMVHRQXBVCYPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF4N2O3S/c1-11-8-13(10-26-18(11)15-4-2-3-5-17(15)21)31(29,30)27-19(28)14-7-6-12(22)9-16(14)20(23,24)25/h2-10H,1H3,(H,27,28).
What are the key properties of N-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]sulfonyl]-4-fluoro-2-(trifluoromethyl)benzamide?
N-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]sulfonyl]-4-fluoro-2-(trifluoromethyl)benzamide has a molecular weight of 472.85 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]sulfonyl]-4-fluoro-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 25115154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).